Geometry & MOs

Info

ID:	173155
PubChem CID:	75604439
Reduced:	S3N8O10C19H24 (1)
Stoich.:	A3B8C10D19E24 (1)
Weight, g/mol:	420.269586
ΔH_f, kcal/mol:	-215.82
Dipole, Da:	56.95
IP(EA), eV:	-6.86(-3.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-phenylmethoxyoct-2-enoate

Drug info:

PubChemData

Smile

CON=C(C1=CN=C(S1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4CCO)N)C(=O)O.OS(=O)(=O)[O-]

DOS

IR

Vibrations